Lv1
34 积分 2025-10-22 加入
Assessing Nonperiodic and Periodic TD-DFT: The Case of Photochromism in Aluminosilicates
23天前
已完结
Practical Guidance for Consensus Scoring and Force Field Selection in Protein–Ligand Binding Free Energy Simulations
26天前
已完结
Dimerization of Full‑Length Aβ‑42 Peptide: A Comparison of Different Force Fields and Water Models
27天前
已完结
Accelerated Molecular Dynamics for Peptide Folding: Benchmarking Different Combinations of Force Fields and Explicit Solvent Models
27天前
已完结
Multiscale Study on the Intramolecular C–S Bond Formation Catalyzed by P450 Monooxygenase CxnD Involved in the Biosynthesis of Chuangxinmycin: The Critical Roles of Noncrystal Water Molecule and Conformational Change
1个月前
已完结
A Chemoselective and Stereodivergent Platform of Heme-Nitrene Transferases to Access Chiral Aryl-β-Amino Esters and An Investigation of the Sequence-Activity Landscape
2个月前
已完结
Structural and mechanistic insights into oxidative biaryl coupling to form the arylomycin core by an engineered CYP450
2个月前
已完结
Computational Redesign and Mechanistic Insights into P450BM3 Enable Regioselective C–H Hydroxylation of Structurally Diverse Steroids
3个月前
已完结
Molecular Dynamics and QM/MM Calculations Predict the Substrate-Induced Gating of Cytochrome P450 BM3 and the Regio- and Stereoselectivity of Fatty Acid Hydroxylation
3个月前
已完结
皖公网安备34019202002308
